2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid

C10H8ClF3O3 — CID 117424974

IUPAC2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1CC(=O)O
InChIInChI=1S/C10H8ClF3O3/c1-17-8-3-5(10(12,13)14)2-7(11)6(8)4-9(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeySMNXFKJSUQFTMK-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.99
Rot. Bonds3

About 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid

2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 117424974) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
PubChem CID117424974
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1CC(=O)O
InChIInChI=1S/C10H8ClF3O3/c1-17-8-3-5(10(12,13)14)2-7(11)6(8)4-9(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeySMNXFKJSUQFTMK-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117458077
4-amino-4-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]butanoic acid
CID 117496405
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 84803557
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
2-chloro-3-[2,6-dichloro-4-(trifluoromethyl)phenyl]propanoic acid
CID 170873830
2-fluoro-3-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171020416
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117425049
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567
2-(2-bromo-4-chloro-6-methoxyphenyl)acetic acid
CID 84811631
2-chloro-1-[2-chloro-3-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028454

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid (CID 117424974) is 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid is COc1cc(C(F)(F)F)cc(Cl)c1CC(=O)O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is SMNXFKJSUQFTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-17-8-3-5(10(12,13)14)2-7(11)6(8)4-9(15)16/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid?
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 268.62 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 117424974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).